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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/72/9007280.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007280
loop_
_publ_author_name
'Lee, Y.'
'Hriljac, J. A.'
'Vogt, T.'
_publ_section_title
;
 Pressure-induced migration of zeolitic water in laumontite
 Sample: Pleasant Valley, Connecticut, NMNH R4159; P = 1.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              421
_journal_page_last               428
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Al4 Ca2 H18 O33 Si8'
_chemical_name_mineral           Laumontite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.001
_cell_angle_gamma                90
_cell_length_a                   14.8486
_cell_length_b                   13.1211
_cell_length_c                   7.4774
_cell_volume                     1368.956
_database_code_amcsd             0008871
_diffrn_ambient_pressure         1.1e+06
_exptl_crystal_density_diffrn    2.326
_cod_original_formula_sum        'Ca2 Al4 Si8 O33 H18'
_cod_database_code               9007280
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.27000 0.50000 0.72500 0.03800
Al 0.12930 0.30950 0.72840 0.03800
Si1 0.23980 0.38130 0.15760 0.03800
Si2 0.07430 0.38690 0.31720 0.03800
O1 0.26600 0.50000 0.20800 0.03800
O2 0.21200 0.36500 0.93100 0.03800
O3 0.13400 0.38900 0.54500 0.03800
O4 0.14600 0.34900 0.20900 0.03800
O5 0.33100 0.31500 0.28400 0.03800
O6 0.03600 0.50000 0.24100 0.03800
O7 0.01300 0.30600 0.73700 0.03800
Wat1 0.00000 0.15400 0.00000 0.03800
Wat2 0.41400 0.50000 0.03100 0.03800
Wat5 0.50000 0.50000 0.50000 0.03800
Wat8 0.13900 0.12300 0.37700 0.03800